psrun profile of Gromacs mdrun on Itanium 2 (sm_raft, PME)
PerfSuite Hardware Performance Summary Report
Version : 1.0
Created : Mon May 05 11:27:17 AM CDT 2003
Generator : psprocess 0.1
XML Source : psrun-pme-profile.3187.xml
Execution Information
============================================================================================
Annotation : sm_raft, PME, 1000 steps
Date : Mon May 5 11:25:42 2003
Host : tg-cs2
User : perfsuite
Processor and System Information
============================================================================================
Node CPUs : 2
Vendor : Intel
Family : Itanium 2
CPU Revision : 7
Clock (MHz) : 997.242
Memory (MB) : 8087.20
Pagesize (KB): 16
Cache Information
============================================================================================
Cache levels : 3
--------------------------------
Level 1
Type : data
Size (KB) : 16
Linesize (B) : 64
Assoc : 4
Type : instruction
Size (KB) : 16
Linesize (B) : 64
Assoc : 4
--------------------------------
Level 2
Type : unified
Size (KB) : 256
Linesize (B) : 128
Assoc : 8
--------------------------------
Level 3
Type : unified
Size (KB) : 3072
Linesize (B) : 128
Assoc : 12
Profile Information
============================================================================================
Class : PAPI
Event : PAPI_TOT_CYC
Threshold : 1000000
Samples : 5254005
Domain : user
Run Time : 6872.56 (wall clock seconds)
Min Self % : (all)
File Summary
--------------------------------------------------------------------------------
Samples Self % Total % File
2538551 48.32% 48.32% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f
865132 16.47% 64.78% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/pme.c
850101 16.18% 80.96% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/ns.c
329350 6.27% 87.23% ??
155684 2.96% 90.19% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/update.c
149924 2.85% 93.05% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/ewald_util.c
134096 2.55% 95.60% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/bondfree.c
92257 1.76% 97.36% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/flincs.f
39029 0.74% 98.10% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/mshift.c
30569 0.58% 98.68% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/fsettle.f
27563 0.52% 99.21% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/fnbf.c
16414 0.31% 99.52% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/sim_util.c
9834 0.19% 99.70% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/calcvir.c
4971 0.09% 99.80% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/constr.c
4579 0.09% 99.89% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/pbc.c
2045 0.04% 99.93% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/libxdrf.c
1707 0.03% 99.96% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/calcmu.c
1187 0.02% 99.98% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/nsgrid.c
347 0.01% 99.99% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/gmxfio.c
173 0.00% 99.99% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/mdatom.c
159 0.00% 99.99% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/tpxio.c
117 0.00% 100.00% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/force.c
72 0.00% 100.00% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/vcm.c
57 0.00% 100.00% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/confio.c
18 0.00% 100.00% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/tgroup.c
13 0.00% 100.00% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/ebin.c
13 0.00% 100.00% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/kernel/md.c
8 0.00% 100.00% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/coupling.c
6 0.00% 100.00% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/invblock.c
5 0.00% 100.00% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/fftgrid.c
5 0.00% 100.00% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/smalloc.c
3 0.00% 100.00% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/symtab.c
3 0.00% 100.00% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/stat.c
3 0.00% 100.00% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/nrnb.c
2 0.00% 100.00% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/kernel/init_sh.c
2 0.00% 100.00% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/fatal.c
2 0.00% 100.00% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/tables.c
2 0.00% 100.00% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/kernel/do_gct.c
1 0.00% 100.00% ../../include/vec.h
1 0.00% 100.00% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/mdebin.c
Function Summary
--------------------------------------------------------------------------------
Samples Self % Total % Function
1839543 35.01% 35.01% inl3130
541829 10.31% 45.32% ns5_core
389741 7.42% 52.74% inl0100
355349 6.76% 59.51% spread_q_bsplines
213172 4.06% 63.56% gather_f_bsplines
200546 3.82% 67.38% do_longrange
182691 3.48% 70.86% make_bsplines
149924 2.85% 73.71% ewald_LRcorrection
112883 2.15% 75.86% inl3100
105317 2.00% 77.86% solve_pme
92257 1.76% 79.62% flincs
82502 1.57% 81.19% inl3120
81212 1.55% 82.74% inl3000
64739 1.23% 83.97% do_update_md
61150 1.16% 85.13% add_j_to_nblist
57340 1.09% 86.22% calc_ke_part
... output truncated to limit web page size
File:Line Summary
--------------------------------------------------------------------------------
Samples Self % Total % File:Line
329350 6.27% 6.27% ??:0
232686 4.43% 10.70% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/pme.c:269
174262 3.32% 14.01% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/ns.c:1274
99352 1.89% 15.91% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/ns.c:1490
99021 1.88% 17.79% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/ns.c:1550
87498 1.67% 19.46% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/ns.c:1496
84709 1.61% 21.07% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:17602
71767 1.37% 22.43% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:153
66068 1.26% 23.69% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:17607
64164 1.22% 24.91% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/ns.c:1499
64083 1.22% 26.13% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/pme.c:259
62594 1.19% 27.32% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:17606
60938 1.16% 28.48% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:165
58972 1.12% 29.61% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:163
57323 1.09% 30.70% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:17576
56758 1.08% 31.78% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:17603
56331 1.07% 32.85% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:17608
56158 1.07% 33.92% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/ns.c:1501
54869 1.04% 34.96% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/ewald_util.c:211
52148 0.99% 35.95% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/pme.c:359
50610 0.96% 36.92% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:17601
40842 0.78% 37.70% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:17600
40750 0.78% 38.47% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:17839
40164 0.76% 39.24% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/pme.c:578
37810 0.72% 39.95% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:17847
37796 0.72% 40.67% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:17604
37292 0.71% 41.38% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:17630
37285 0.71% 42.09% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/pme.c:487
36198 0.69% 42.78% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:144
34974 0.67% 43.45% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:17725
34323 0.65% 44.10% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/pme.c:584
33655 0.64% 44.74% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/ns.c:1491
31091 0.59% 45.33% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:17605
28149 0.54% 45.87% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:17712
25031 0.48% 46.35% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:17842
24998 0.48% 46.82% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/flincs.f:333
24505 0.47% 47.29% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:17563
24269 0.46% 47.75% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/pme.c:565
23932 0.46% 48.21% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/ns.c:470
23441 0.45% 48.65% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/pme.c:469
22884 0.44% 49.09% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:17733
22883 0.44% 49.52% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:17555
22679 0.43% 49.95% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:141
22086 0.42% 50.37% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/pme.c:562
21751 0.41% 50.79% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:17638
21748 0.41% 51.20% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:17639
21283 0.41% 51.61% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/pme.c:275
21279 0.41% 52.01% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:143
21053 0.40% 52.41% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/pme.c:538
20385 0.39% 52.80% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/update.c:113
20318 0.39% 53.19% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/pme.c:482
20050 0.38% 53.57% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/update.c:117
20046 0.38% 53.95% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/pme.c:573
18993 0.36% 54.31% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:17611
18956 0.36% 54.67% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:17645
18834 0.36% 55.03% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:17820
18187 0.35% 55.38% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:154
17678 0.34% 55.71% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/pme.c:367
17347 0.33% 56.04% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/ewald_util.c:151
17307 0.33% 56.37% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/pme.c:465
16281 0.31% 56.68% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:17640
15743 0.30% 56.98% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:17622
15727 0.30% 57.28% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:17625
15025 0.29% 57.57% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/ns.c:467
14830 0.28% 57.85% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/ns.c:471
13989 0.27% 58.12% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:16596
13901 0.26% 58.38% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/pme.c:468
13816 0.26% 58.65% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:14897
13717 0.26% 58.91% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/update.c:783
13564 0.26% 59.16% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:17691
13523 0.26% 59.42% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/update.c:502
13409 0.26% 59.68% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:17666
12742 0.24% 59.92% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:17629
12653 0.24% 60.16% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:17844
12611 0.24% 60.40% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/mdlib/update.c:781
12602 0.24% 60.64% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:17632
12600 0.24% 60.88% /home/perfsuite/apps/gromacs/gromacs-3.1.4/src/gmxlib/innerf.f:17848
... output truncated to limit web page size
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